Compound Detail
CHEMBL4093577
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COC(=O)c1ccc(C)c(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4093577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXJNFQCZBTXOSU-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
4.32
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of recombinant human complement factor D catalytic domain (G24 to A25... | 28157311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28157311 | 10.1021/acs.jmedchem.6b01684 | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine